LUO-POS-9931618f-2

molecule

Metadata

Compound ID LUO-POS-9931618f-2

Computed quantities

ΔG / kcal M-1 −9.1 ± 0.1
pIC50 6.6 ± 0.1

Experimental data

ΔG / kcal M-1 TBD
pIC50 TBD
IC50 / µM TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN412 VLA-UCB-50c39ae8-2_1 molecule LUO-POS-9931618f-2_1 molecule 0.0 ± 0.1 work distributions bootstrapping convergence
Last updated 2022-01-14T01:33:04.309636+00:00
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